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        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "39",
          "1 -0.18",
          "11 0.27",
          "12 0.27",
          "13 0.42",
          "14 0.27",
          "16 0.3",
          "17 -0.14",
          "18 0.45",
          "19 -0.14",
          "2 -0.18",
          "20 0.3",
          "21 0.28",
          "22 -0.15",
          "23 -0.15",
          "24 0.06",
          "25 0.57",
          "26 -0.15",
          "27 -0.15",
          "28 0.06",
          "29 -0.15",
          "3 -0.56",
          "30 -0.15",
          "32 0.18",
          "33 -0.15",
          "34 -0.15",
          "35 0.18",
          "4 -0.57",
          "5 -0.57",
          "56 0.15",
          "57 0.15",
          "6 -0.81",
          "61 0.15",
          "62 0.15",
          "65 0.15",
          "66 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.66",
          "8 0.2"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 114, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "9",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "3 31 36 37 hydrophobe",
          "6 17 22 23 29 30 34 rings",
          "6 19 26 27 32 33 35 rings",
          "6 3 7 13 16 20 21 rings",
          "6 6 8 9 10 11 12 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}